%chk=000134642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134642

0 1
 S   0.6534000      0.4761000      0.5860000    
 O   -2.857100       1.631000      0.5885000    
 O   -2.424200      0.7143000      -1.440800    
 O    2.287900      -1.292000     -0.4982000    
 N   -2.777500      -1.717700      0.1797000    
 N    3.183400      0.7346000      0.2160000    
 C   -1.917400     -0.5869000      0.5339000    
 C  -0.4612000     -0.9100000      0.1939000    
 C   -2.427300      0.6282000     -0.2183000    
 C    2.177800     -0.1828000      7.6000001E-03
 C    4.562400      0.5052000     -0.1483000    
 H   -2.013500     -0.4061000       1.611600    
 H  -0.1299000      -1.791600      0.7544000    
 H  -0.3631000      -1.132400     -0.8754000    
 H   -3.727600      -1.538500      0.5032000    
 H   -2.463600      -2.553200      0.6722000    
 H    2.943700       1.621300      0.6486000    
 H    5.171600      0.5847000      0.7553000    
 H    4.861900       1.281800     -0.8560000    
 H    4.695000     -0.4806000     -0.6002000    
 H   -3.165000       2.407700      7.4500002E-02


%chk=000134642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134642

0 1
S 0.672238 0.652829 -1.336919
O -3.325693 0.820362 1.201280
O -2.613093 1.470215 -0.910026
O 1.780880 -1.135936 0.476251
N -2.129275 -1.622843 0.689843
N 3.153841 0.621972 -0.239058
C -1.444459 -0.379895 0.284604
C -0.655617 -0.643508 -1.013787
C -2.484645 0.722269 0.078814
C 1.982585 -0.099660 -0.212312
C 4.326631 0.249898 0.565636
H -0.731486 0.003112 1.054134
H -0.128745 -1.606427 -0.927623
H -1.310750 -0.639762 -1.897218
H -2.885808 -1.476369 1.364839
H -1.475744 -2.359078 0.973430
H 3.208557 1.441432 -0.846759
H 4.603396 1.062167 1.262443
H 5.193148 0.015636 -0.079489
H 4.066915 -0.646539 1.149457
H -3.993177 1.543227 1.050660


